NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[4-(2H-1,3-benzodioxol-5-yl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
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IUPAC Traditional name
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2-[4-(2H-1,3-benzodioxol-5-yl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
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Synonyms
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2-[4-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[(5-methyl-2-furyl)methyl]acetamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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12.536746
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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1.0476835
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LogD (pH = 7.4)
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1.0476806
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Log P
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1.0476835
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Molar Refractivity
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93.4602 cm3
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Polarizability
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35.72053 Å3
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Polar Surface Area
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96.61 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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6
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H Donor
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1
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Log P
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0.13
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LOG S
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-3.32
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Polar Surface Area
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100.52 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent